2,6-bis[(4-tert-butylphenyl)sulfanyl]benzenecarbonitrile

Systemtic Name: 2,6-bis[(4-tert-butylphenyl)sulfanyl]benzenecarbonitrile Openeye Name: 2,6-bis[(4-tert-butylphenyl)sulfanyl]benzonitrile CAS Name: 2,6-bis[(4-tert-butylphenyl)thio]benzonitrile IUPAC Name: 2,6-bis[(4-tert-butylphenyl)sulfanyl]benzonitrile Traditional Name: 2,6-bis[(4-tert-butylphenyl)thio]benzonitrile Formula: C27H29NS2 MolecularWeight: 431.65586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=CC=C2)SC3=CC=C(C=C3)C(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C(=CC=C2)SC3=CC=C(C=C3)C(C)(C)C)C#N

InChI

InChI=1S/C27H29NS2/c1-26(2,3)19-10-14-21(15-11-19)29-24-8-7-9-25(23(24)18-28)30-22-16-12-20(13-17-22)27(4,5)6/h7-17H,1-6H3